Charge: 2
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+2
Electronic States
Energy
(eV)
-1073.90487
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01067 b
(cm-1)
0.00577 c
(cm-1)
0.00374
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.09400
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.17800
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00012
-0.00013
2
0.00000
0.00012
-0.00013
3
0.00000
-0.00001
-0.00023
4
0.00000
-0.00004
0.00006
5
0.00000
0.00004
0.00006
6
0.00000
0.00001
-0.00023
7
0.00000
0.00048
-0.00037
8
0.00000
0.00011
-0.00052
9
0.00000
-0.00011
-0.00052
10
0.00000
-0.00048
-0.00037
11
0.00000
-0.00058
0.00083
12
0.00000
-0.01119
0.01610
13
0.00000
0.01119
0.01610
14
0.00000
0.00058
0.00083
15
0.00000
0.00005
-0.00061
16
0.00000
-0.00005
-0.00061
17
0.00000
-0.01120
-0.00057
18
0.00000
-0.00536
-0.00043
19
0.00000
0.00536
-0.00043
20
0.00000
0.01120
-0.00057
21
0.00000
-0.00478
0.00839
22
0.00000
-0.00800
0.01538
23
0.00000
0.00800
0.01538
24
0.00000
0.00478
0.00839
25
0.00000
0.03228
-0.00174
26
0.00000
-0.03228
-0.00174
27
0.00000
-0.02134
0.03220
28
0.00000
0.02134
0.03220
29
0.00000
0.12710
0.00096
30
0.00000
0.05581
0.00065
31
0.00000
-0.05581
0.00065
32
0.00000
-0.12710
0.00096
33
0.00000
0.05500
-0.08673
34
0.00000
0.09877
-0.17121
35
0.00000
-0.09877
-0.17121
36
0.00000
-0.05500
-0.08673
37
0.00000
0.22456
-0.37874
38
0.00000
0.11027
-0.18692
39
0.00000
-0.11027
-0.18692
40
0.00000
-0.22456
-0.37874
41
0.00000
-0.38060
0.00818
42
0.00000
0.38060
0.00818